6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene

C24H25N3O — CID 7300980

IUPAC6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
SMILESCCc1ccc(-c2cn3nc(-c4ccc(OC)cc4)n4c3c2CCCC4)cc1
InChIInChI=1S/C24H25N3O/c1-3-17-7-9-18(10-8-17)22-16-27-24-21(22)6-4-5-15-26(24)23(25-27)19-11-13-20(28-2)14-12-19/h7-14,16H,3-6,15H2,1-2H3
InChIKeyUCIJBKMWWQCASA-UHFFFAOYSA-N
MW371.48 g/mol
LogP5.38
Rot. Bonds4

About 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene

6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene (PubChem CID 7300980) has the molecular formula C24H25N3O and a molecular weight of 371.48 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene.

Molecular Properties

Compound Name6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
PubChem CID7300980
Molecular FormulaC24H25N3O
Molecular Weight371.48 g/mol
Exact Mass371.20
IUPAC Name6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene
SMILESCCc1ccc(-c2cn3nc(-c4ccc(OC)cc4)n4c3c2CCCC4)cc1
InChIInChI=1S/C24H25N3O/c1-3-17-7-9-18(10-8-17)22-16-27-24-21(22)6-4-5-15-26(24)23(25-27)19-11-13-20(28-2)14-12-19/h7-14,16H,3-6,15H2,1-2H3
InChIKeyUCIJBKMWWQCASA-UHFFFAOYSA-N
XLogP5.38
TPSA31.46 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.48
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2,4-Triazolo(3,4-a)phthalazine, 3-(4-methoxyphenyl)-6-(1-pyrrolidinyl)-
CID 3071199
2-(4-Methoxyphenyl)-1-methyl-6-phenyl-3-pyridin-4-ylimidazo[2,1-e]pyrazole
CID 102313335
2-(4-Methoxyphenyl)-1-methyl-7-[(4-methylpiperazin-1-yl)methyl]-6-phenylimidazo[2,1-e]pyrazole
CID 118710903
1-(2-Fluoro-4-methoxyphenyl)-4-((2-isopropyl-5-methylphenoxy)methyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulene
CID 4606381
N-((1-(3,4-dimethoxyphenyl)-5,6,7,8-tetrahydro-2a,3,4a-triazacyclopenta[cd]azulen-4-yl)methyl)-4-fluoroaniline
CID 7267467
1-[2-(4-methoxyphenyl)-1-methyl-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine
CID 118710902
1-[2-(4-methoxyphenyl)-1-methyl-3-(4-methylphenyl)-6-phenylimidazo[2,1-e]pyrazol-7-yl]-N,N-dimethylmethanamine
CID 118710926
N,N-dimethyl-3-[4-[6-(4-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]phenoxy]propan-1-amine
CID 155551882
3-(4-Methoxyphenyl)-6-(3-propan-2-ylphenyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 162662024
7-benzyl-3-(4-methoxyphenyl)-7H-pyrazolo[4,3-e][1,2,4]triazolo[4,3-c]pyrimidine
CID 1260338
4-(4-Fluorophenyl)-1-(4-methoxyphenyl)-5,6,7,8-tetrahydro-2,2a,8a-triazacyclopenta[cd]azulene
CID 1260362
8-(4-Methoxyphenyl)-3-phenyl-6-[4-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 155932729

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene?
The IUPAC name of 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene (CID 7300980) is 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene.
What is the SMILES notation for 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene?
The canonical SMILES for 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene is CCc1ccc(-c2cn3nc(-c4ccc(OC)cc4)n4c3c2CCCC4)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene?
The InChIKey is UCIJBKMWWQCASA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O/c1-3-17-7-9-18(10-8-17)22-16-27-24-21(22)6-4-5-15-26(24)23(25-27)19-11-13-20(28-2)14-12-19/h7-14,16H,3-6,15H2,1-2H3.
What are the key properties of 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene?
6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene has a molecular weight of 371.48 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-2-(4-methoxyphenyl)-1,3,4-triazatricyclo[5.4.1.04,12]dodeca-2,5,7(12)-triene is sourced from PubChem (CID 7300980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).